compute ti

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1

Hello all,

Not able to resolve this problem.

I’m trying to use the compute ti command and receive the following error:

ERROR: All pair coeffs are not set (pair_born.cpp:236)

This only appears when I try to use the compute ti, running without causes no issues.

Any insight?

Any help is most appreciated,
Stefan

2

Hello all,

Not able to resolve this problem.

I'm trying to use the compute ti command and receive the following error:

ERROR: All pair coeffs are not set (pair_born.cpp:236)

This only appears when I try to use the compute ti, running without causes
no issues.

Any insight?

it is difficult to look into an issue like this without having a
suitable example input demonstrating the issue.

also, when reporting a problem with something not working as
advertised, please *always* state which version of lammps you are
using and what environment (OS, compiler and hardware) you are
running on.

axel.